4-ethoxy-N-(2-hydroxyethyl)-3-methoxy-N-propan-2-ylbenzamide

C15H23NO4 — CID 43573393

IUPAC4-ethoxy-N-(2-hydroxyethyl)-3-methoxy-N-propan-2-ylbenzamide
SMILESCCOc1ccc(C(=O)N(CCO)C(C)C)cc1OC
InChIInChI=1S/C15H23NO4/c1-5-20-13-7-6-12(10-14(13)19-4)15(18)16(8-9-17)11(2)3/h6-7,10-11,17H,5,8-9H2,1-4H3
InChIKeyNBAXANLHRHBICD-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.94
Rot. Bonds7

About 4-ethoxy-N-(2-hydroxyethyl)-3-methoxy-N-propan-2-ylbenzamide

4-ethoxy-N-(2-hydroxyethyl)-3-methoxy-N-propan-2-ylbenzamide (PubChem CID 43573393) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 4-ethoxy-N-(2-hydroxyethyl)-3-methoxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-ethoxy-N-(2-hydroxyethyl)-3-methoxy-N-propan-2-ylbenzamide
PubChem CID43573393
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name4-ethoxy-N-(2-hydroxyethyl)-3-methoxy-N-propan-2-ylbenzamide
SMILESCCOc1ccc(C(=O)N(CCO)C(C)C)cc1OC
InChIInChI=1S/C15H23NO4/c1-5-20-13-7-6-12(10-14(13)19-4)15(18)16(8-9-17)11(2)3/h6-7,10-11,17H,5,8-9H2,1-4H3
InChIKeyNBAXANLHRHBICD-UHFFFAOYSA-N
XLogP1.94
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-(3-hydroxybutyl)-3-methoxy-N-methylbenzamide
CID 115673354
N-(1-aminopropan-2-yl)-4-ethoxy-3-methoxy-N-methylbenzamide;hydrochloride
CID 119582790
N-benzyl-3,4-dimethoxy-N-propan-2-ylbenzamide
CID 807482
N-(2-aminoethyl)-3-hydroxy-4-methoxy-N-propan-2-ylbenzamide
CID 79726380
N-(2-aminoethyl)-3-methoxy-4-methyl-N-propan-2-ylbenzamide
CID 61350677
N-(3-hydroxypropyl)-4-methoxy-3-nitro-N-propan-2-ylbenzamide
CID 61039539
3-[(3-methoxy-4-methylbenzoyl)-propan-2-ylamino]propanoic acid
CID 60831904
N-(2-bromoethyl)-3-fluoro-4-methoxy-N-propan-2-ylbenzamide
CID 80665485
3-hydroxy-N-(2-hydroxyethyl)-4-methyl-N-propan-2-ylbenzamide
CID 43573118
2-[(4-ethoxy-3-methoxybenzoyl)amino]propanoic acid
CID 43092046
4-bromo-N-(3-hydroxypropyl)-3,5-dimethoxy-N-propan-2-ylbenzamide
CID 61039164
4-ethoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
CID 43391198

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-hydroxyethyl)-3-methoxy-N-propan-2-ylbenzamide?
The IUPAC name of 4-ethoxy-N-(2-hydroxyethyl)-3-methoxy-N-propan-2-ylbenzamide (CID 43573393) is 4-ethoxy-N-(2-hydroxyethyl)-3-methoxy-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-ethoxy-N-(2-hydroxyethyl)-3-methoxy-N-propan-2-ylbenzamide?
The canonical SMILES for 4-ethoxy-N-(2-hydroxyethyl)-3-methoxy-N-propan-2-ylbenzamide is CCOc1ccc(C(=O)N(CCO)C(C)C)cc1OC.
What is the InChIKey of 4-ethoxy-N-(2-hydroxyethyl)-3-methoxy-N-propan-2-ylbenzamide?
The InChIKey is NBAXANLHRHBICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-5-20-13-7-6-12(10-14(13)19-4)15(18)16(8-9-17)11(2)3/h6-7,10-11,17H,5,8-9H2,1-4H3.
What are the key properties of 4-ethoxy-N-(2-hydroxyethyl)-3-methoxy-N-propan-2-ylbenzamide?
4-ethoxy-N-(2-hydroxyethyl)-3-methoxy-N-propan-2-ylbenzamide has a molecular weight of 281.35 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-hydroxyethyl)-3-methoxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 43573393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).